Octanedioic acid,1,8-diethyl ester

• CAS: 2050-23-9
• Catalog Number: ACM2050239
• Category: Other Products
• Molecular Weight: 230.3g/mol
• Molecular Formula: C12H22O4
• IUPAC Name: diethyl octanedioate
• Canonical SMILES: CCOC(=O)CCCCCCC(=O)OCC
• InChI: InChI=1S/C12H22O4/c1-3-15-11(13)9-7-5-6-8-10-12(14)16-4-2/h3-10H2,1-2H3
• InChI Key: PEUGOJXLBSIJQS-UHFFFAOYSA-N
• Boiling Point: 282.6 °C
• Melting Point: 5.9 °C
• Solubility: 0.00 M
• Complexity: 179
• Covalently-Bonded Unit Count: 1
• EC Number: 218-084-4
• Exact Mass: 230.151809g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 16
• Monoisotopic Mass: 230.151809g/mol
• NSC Number: 62701
• Rotatable Bond Count: 11
• XLogP3: 2.4